1-(2-bromanyl-6-methyl-phenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea

Systemtic Name: 1-(2-bromanyl-6-methyl-phenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea Openeye Name: 1-(2-bromo-6-methyl-phenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea CAS Name: 1-(2-bromo-6-methylphenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea IUPAC Name: 1-(2-bromo-6-methylphenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea Traditional Name: 1-(2-bromo-6-methyl-phenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea Formula: C13H17BrN4O MolecularWeight: 325.20428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Br)NC(=O)NC2=NCCCCN2

Isomeric SMILES

CC1=C(C(=CC=C1)Br)NC(=O)NC2=NCCCCN2

InChI

InChI=1S/C13H17BrN4O/c1-9-5-4-6-10(14)11(9)17-13(19)18-12-15-7-2-3-8-16-12/h4-6H,2-3,7-8H2,1H3,(H3,15,16,17,18,19)